The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Surface Structure and Morphology of Calcium Carbonate Polymorphs Calcite, Aragonite, and Vaterite: An Atomistic Approach
Abstract
Atomistic simulation techniques have been employed to investigate the effect of molecular adsorption of water on the low-index surfaces of calcite, aragonite, and vaterite. Calculated surface and hydration energies agree with experiment and previous calculations where available. Known experimental surface features are reproduced, i.e., 1 × 1 symmetry and structural features of the calcite {101̄4} surface and bulk termination of the {101̄1} and {112̄0} surfaces. Surface carbonate groups tend to rotate to lie flat in the surface. The morphologies of the hydrated crystals agree with experimentally found morphologies. The bulk lattice energies of the polymorphs reflect their thermodynamic stability.
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Citations
Cites
Control of Aragonite or Calcite Polymorphism by Mollusk Shell Macromolecules
Falini, G., Albeck, S., Weiner, S., & Addadi, L. (1996) · Science · doi:10.1126/science.271.5245.67 · Cited by 1,437
Cited by
Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate
Raiteri, P., & Gale, J. D. (2010) · Journal of the American Chemical Society · doi:10.1021/ja108508k · Cited by 420
Dehydration and crystallization of amorphous calcium carbonate in solution and in air
Ihli, J., Wong, W. C., Noel, E. H., Kim, Y.-Y., Kulak, A. N., Christenson, H. K., Duer, M. J., & Meldrum, F. C. (2014) · Nature Communications · doi:10.1038/ncomms4169 · Cited by 383
Limestone and silica powder replacements for cement: Early-age performance
Bentz, D. P., Ferraris, C. F., Jones, S. Z., Lootens, D., & Zunino, F. (2017) · Cement and Concrete Composites · doi:10.1016/j.cemconcomp.2017.01.001 · Cited by 255
Al-Hosney, H. A., & Grassian, V. H. (2005) · Physical Chemistry Chemical Physics · doi:10.1039/b417872f · Cited by 236
Sand, K. K., Rodriguez-Blanco, J. D., Makovicky, E., Benning, L. G., & Stipp, S. L. S. (2012) · Crystal Growth & Design · doi:10.1021/cg2012342 · Cited by 224
Metadata
- Authors
- de Leeuw, N. H., & Parker, S. C.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 1998-03-25
- Volume
- 102
- Issue
- 16
- Pages
- 2914-2922
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2013722136
- Cited by
- 588
- References
- 1
- FWCI
- 6.63
- Type
- journal article
- Language
- en
- Open access
- closed
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